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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168106 74924257 1 NO5C18H21 AB5C18D21 -180.88 9.82 -8.97 -0.51 0
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168107 74924295 1 NO5C23H23 AB5C23D23 -151.52 9.87 -8.78 -0.6 0
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168108 74924296 1 NO5C21H25 AB5C21D25 -184.98 4.25 -8.41 -0.08 0
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168109 74924297 1 NO5C20H23 AB5C20D23 -182.74 5.1 -8.38 -0.27 0
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168110 74924586 2 ON3C11H12 AB3C11D12 2.09 3.58 -9.23 -0.39 0
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168111 74924640 1 O3N6C19H26 A3B6C19D26 -74.89 8.24 -9.19 -0.26 0
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168112 74924641 3 ON2C6H8 AB2C6D8 -69.97 8.09 -8.7 -0.22 0
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168113 74924718 1 O2N6C21H30 A2B6C21D30 -53.53 7.24 -8.96 -0.15 0
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168114 74925033 3 ON2C7H8 AB2C7D8 -24.12 4.9 -8.87 -1.43 0
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168115 74925649 1 FSO4N5C20H22 ABC4D5E20F22 -132.65 3.13 -9.61 -0.98 0
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168116 74925650 1 SO4N5C21H23 AB4C5D21E23 -35.07 3.35 -9.39 -0.93 0
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168117 74925651 1 S2O4N6C17H18 A2B4C6D17E18 -40.19 6.29 -9.22 -1.48 1
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168118 74925755 1 O3N4H15C18 A3B4C15D18 -60.64 0.89 0.0 0.0 0
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168119 74925814 1 O3N5H17C18 A3B5C17D18 -60.49 2.81 -9.77 -0.74 0
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168120 74925815 1 O3N5H17C18 A3B5C17D18 -59.39 2.14 -9.95 -0.74 0
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168121 74925914 1 Cl2O3N4C16H18 A2B3C4D16E18 -126.21 3.13 -9.93 -0.92 0
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168122 74925915 1 O3N4C16H20 A3B4C16D20 -109.48 2.11 -9.85 -0.28 1
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168123 74925916 1 O3N5C20H26 A3B5C20D26 -108.1 2.26 0.0 0.0 0
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168124 74926349 1 SO3N8C21H26 AB3C8D21E26 28.79 7.42 -8.71 -0.88 0
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168125 74926350 1 SO4N7C21H25 AB4C7D21E25 -7.47 3.93 -8.72 -0.96 0
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168126 74926586 2 ON3C10H13 AB3C10D13 -32.85 3.03 -8.59 -0.47 0
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168127 74926666 1 ON7C19H31 AB7C19D31 -16.77 4.11 -8.55 -0.3 0
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168128 74927241 1 BrClN4O5C23H34 ABC4D5E23F34 -247.28 3.08 -9.09 -0.93 0
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168129 74927735 1 P2N3O10C23H45 A2B3C10D23E45 -568.66 5.38 -9.26 0.08 0
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168130 74928238 1 ClN3O4C27H30 AB3C4D27E30 -123.59 7.46 -8.55 -0.32 0
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168131 74928239 1 ClN3O4C24H28 AB3C4D24E28 -132.76 4.59 -8.61 -0.53 0
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168132 74928336 1 OSN4H10C13 ABC4D10E13 103.71 4.37 -9.48 -1.87 0
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168133 74928337 1 N2F3O4C11H19 A2B3C4D11E19 -280.87 4.61 -10.31 -0.79 0
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168134 74928338 1 F3O4N5C23H40 A3B4C5D23E40 -383.16 1.79 -9.45 0.44 0
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168135 74928339 1 F3N5O5C26H46 A3B5C5D26E46 -440.65 5.77 -9.47 0.32 0
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168136 74928340 1 NOPH36C39 ABCD36E39 122.56 3.82 -8.97 0.0 0
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168137 74928374 1 SiO4C18H38 AB4C18D38 -282.96 1.84 -9.0 0.85 0
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168138 74928653 1 O2C7H7N7 A2B7C7D7 39.68 0.55 -9.65 -1.24 0
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168139 74928654 1 SO4N6C8H12 AB4C6D8E12 -88.08 6.1 -9.25 -0.87 0
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168140 74928783 1 O15N16C49H70 A15B16C49D70 -637.46 24.83 -8.05 -0.14 0
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168141 74928972 1 FSO5H23C26 ABC5D23E26 -191.73 1.04 -8.47 -0.7 0
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168142 74929265 1 ON2C22H22 AB2C22D22 35.08 1.29 -8.91 0.08 0
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168143 74929409 1 NO2C26H29 AB2C26D29 -51.51 4.68 -8.88 -0.39 0
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168144 74929410 2 NOH10C11 ABC10D11 5.81 3.79 -8.89 -0.5 0
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168145 74929481 1 SN3H19C20 AB3C19D20 88.87 1.18 -8.46 -1.27 0
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168146 74930024 1 ClNO4C26H30 ABC4D26E30 -146.85 5.61 -8.79 -0.16 0
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168147 74930025 1 N2O9C26H34 A2B9C26D34 -378.97 6.47 -9.31 0.02 0
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168148 74930026 1 N2O7C19H30 A2B7C19D30 -329.24 5.22 -9.68 0.39 0
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168149 74930027 1 N2O6C17H24 A2B6C17D24 -274.73 4.43 -9.73 0.08 0
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168150 74930028 1 N2O9C27H36 A2B9C27D36 -389.63 4.87 -9.7 -0.12 0
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168151 74930071 1 OCl2N4H20C23 AB2C4D20E23 41.09 4.16 -9.27 -1.35 0
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168152 74930072 1 OCl2N4H22C23 AB2C4D22E23 15.06 4.35 -9.42 -0.99 0
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168153 74930073 1 ClON4H21C23 ABC4D21E23 47.93 2.43 -9.37 -0.99 0
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168154 74930221 1 F3N5O7C30H38 A3B5C7D30E38 -416.6 6.95 -9.84 -1.92 0
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168155 74930412 1 NSO4C27H33 ABC4D27E33 -145.47 6.55 -8.63 -0.39 0
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168156 74930502 1 SO5N7C19H29 AB5C7D19E29 -158.09 9.52 -8.58 -0.61 0
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168157 74930503 1 SO5N6C20H32 AB5C6D20E32 -172.39 5.88 -8.73 -0.95 0
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168158 74930521 1 ClSF3O4N5C23H23 ABC3D4E5F23G23 -261.34 10.67 -9.11 -0.88 0
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168159 74930522 1 ClSO2N5C21H22 ABC2D5E21F22 -13.49 7.51 -8.45 -0.48 0
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168160 74930523 1 ClO2S2N4H15C20 AB2C2D4E15F20 45.55 3.12 -9.16 -2.05 0
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168161 74930742 1 O4C13H20 A4B13C20 -197.88 4.72 -10.14 0.29 0
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168162 74931812 1 O3N4C24H34 A3B4C24D34 -91.37 8.21 -8.79 -0.62 0
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168163 74931822 1 BrNOH16C20 ABCD16E20 58.31 2.45 -8.63 -0.47 0
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168164 74931826 1 N4O8C35H52 A4B8C35D52 -317.3 6.8 -8.78 -1.62 0
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168165 74931831 1 SN4O12C22H26 AB4C12D22E26 -430.07 3.69 -9.9 -1.41 0
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168166 74932193 1 O2N3C23H23 A2B3C23D23 -3.55 3.94 -8.5 -0.88 0
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168167 74932194 1 O3C18H22 A3B18C22 -86.96 2.39 -8.69 0.19 0
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168168 74932195 1 SiO3C26H34 AB3C26D34 -120.19 1.79 -9.01 0.03 0
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168169 74932196 1 ClN2O6C25H29 AB2C6D25E29 -10.43 8.5 -8.28 -2.57 1
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168170 74932197 1 N2O2C25H29 A2B2C25D29 3.61 1.47 0.0 0.0 0
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168171 74932198 1 PN2F6C14H19 AB2C6D14E19 -398.47 11.11 -8.43 -1.14 0
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168172 74932693 1 NO3C13H19 AB3C13D19 -118.03 1.97 -8.2 0.6 0
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168173 74932704 1 NO5C32H39 AB5C32D39 -150.77 6.76 -9.33 -0.07 0
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168174 74932705 1 NO5C28H31 AB5C28D31 -133.96 2.92 -9.32 -0.02 0
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168175 74932706 1 N4O10H28C33 A4B10C28D33 -295.89 9.15 -8.63 -1.51 0
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168176 74932786 1 NO4C13H25 AB4C13D25 -214.3 3.74 -9.91 0.36 0
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168177 74933179 1 Cl2N3O4H23C25 A2B3C4D23E25 -123.92 4.51 -9.8 -1.12 0
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168178 74933208 1 N3O4C26H27 A3B4C26D27 -118.16 7.11 -9.22 -0.57 0
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168179 74933209 1 F3N3O4H24C26 A3B3C4D24E26 -260.8 3.92 -9.35 -1.23 0
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168180 74933526 1 N3O3C21H25 A3B3C21D25 -43.42 6.25 -8.06 -0.85 0
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168181 74933778 1 ClN3O5C27H54 AB3C5D27E54 -359.95 2.02 -9.96 0.24 0
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168182 74933979 1 S5N9O15H31C46 A5B9C15D31E46 -232.27 8.85 -9.12 -2.84 0
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168183 74933980 1 KLiNaS3N6O14C34H35 ABCD3E6F14G34H35 -566.62 9.77 -8.21 -1.39 0
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168184 74933981 1 S3N5O11H23C28 A3B5C11D23E28 -257.71 7.78 -8.47 -1.86 0
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168185 74934336 1 ZnC6H8O8 AB6C8D8 -320.37 4.73 -10.64 -2.49 0
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168186 74934703 2 NO5C14H29 AB5C14D29 -513.6 5.75 -8.91 -0.18 0
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168187 74934846 1 PN5C11O12H24 AB5C11D12E24 -629.32 8.36 -10.1 -0.32 0
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168188 74934884 1 SN7O10C35H47 AB7C10D35E47 -351.88 8.13 -8.66 -1.32 0
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168189 74935102 2 NO4C12H18 AB4C12D18 -351.86 9.56 -9.46 -0.42 0
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168190 74935210 1 N2O4H18C19 A2B4C18D19 -86.19 3.42 -8.94 -1.66 0
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168191 74935865 1 N2O8C33H46 A2B8C33D46 -282.69 2.95 -8.27 -0.35 0
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168192 74935866 2 NO2C11H17 AB2C11D17 -178.24 5.41 -8.57 -0.4 0
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168193 74935984 1 O2N3C20H27 A2B3C20D27 -60.11 4.08 -9.09 -0.34 0
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168194 74936053 1 OF5N5H18C21 AB5C5D18E21 -178.95 6.51 -9.78 -1.18 0
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168195 74936257 1 N3O5C38H75 A3B5C38D75 -351.74 2.67 -9.49 -0.3 0
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168196 74936540 2 SN6O14C54H79 AB6C14D54E79 -1267.01 11.52 -8.53 -0.93 0
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168197 74936541 3 O2C9H14 A2B9C14 -289.79 3.55 -9.75 -0.4 0
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168198 74936597 1 OS2H22C23 AB2C22D23 36.34 5.13 -8.56 -0.36 0
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168199 74936639 1 NO4C27H45 AB4C27D45 -249.47 8.61 -9.74 -0.37 0
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168200 74936640 1 KNS2O4H12C13 ABC2D4E12F13 -145.64 8.7 -8.7 -0.63 0
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168201 74936641 1 NS2O4C13H13 AB2C4D13E13 -85.81 7.55 -9.17 -1.12 0
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168202 74936642 1 KN2S3O4C17H17 AB2C3D4E17F17 -137.18 13.58 -7.73 -0.21 0
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168203 74936685 1 KNS2O4C14H14 ABC2D4E14F14 -148.3 11.45 -8.61 -0.23 0
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168204 74937093 1 N4O4C23H34 A4B4C23D34 -156.44 6.41 -8.16 0.31 0
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168205 74937189 1 F2S2N7O7C36H45 A2B2C7D7E36F45 -323.23 6.43 -8.61 -1.05 0